Geometry & MOs

Info

ID:	268500
PubChem CID:	103599663
Reduced:	ON6C26H28 (1)
Stoich.:	AB6C26D28 (1)
Weight, g/mol:	435.172896
ΔH_f, kcal/mol:	80.14
Dipole, Da:	5.72
IP(EA), eV:	-8.75(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-3-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-N-[1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NN(C=C2C=CC(=O)NCC3=NN=C(N3C)C)CC4=CC=CC=C4)C

DOS

IR

Vibrations